2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide

C10H15N3O4S — CID 43310349

IUPAC2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C10H15N3O4S/c1-12-10(14)6-13-18(15,16)7-3-4-9(17-2)8(11)5-7/h3-5,13H,6,11H2,1-2H3,(H,12,14)
InChIKeyOQTPZTJSZOSZIH-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.70
Rot. Bonds5

About 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide

2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 43310349) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
PubChem CID43310349
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C10H15N3O4S/c1-12-10(14)6-13-18(15,16)7-3-4-9(17-2)8(11)5-7/h3-5,13H,6,11H2,1-2H3,(H,12,14)
InChIKeyOQTPZTJSZOSZIH-UHFFFAOYSA-N
XLogP-0.70
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide (CID 43310349) is 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is OQTPZTJSZOSZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-10(14)6-13-18(15,16)7-3-4-9(17-2)8(11)5-7/h3-5,13H,6,11H2,1-2H3,(H,12,14).
What are the key properties of 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide?
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 273.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).